smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CC(=O)c1ccc2c(ccc3ccccc32)c1 ZINC000001569698 567837921 /nfs/dbraw/zinc/83/79/21/567837921.db2.gz KSUNUYKECWULSC-UHFFFAOYSA-N 1 1 291.394 4.518 40 5 CJBBMO CC[NH+](CC)CC(=O)c1cc2ccccc2c2ccccc12 ZINC000001569699 567837974 /nfs/dbraw/zinc/83/79/74/567837974.db2.gz YDRLNQJXCKGVSH-UHFFFAOYSA-N 1 1 291.394 4.518 40 5 CJBBMO c1ccc2c(c1)c1ccccc1c1c2C[C@@H]2CCC[N@@H+]2C1 ZINC000001668091 567840582 /nfs/dbraw/zinc/84/05/82/567840582.db2.gz BDTAOXSJTPSFQD-AWEZNQCLSA-N 1 1 273.379 4.514 40 5 CJBBMO c1ccc2c(c1)c1ccccc1c1c2C[C@H]2CCC[N@@H+]2C1 ZINC000004945812 170044071 /nfs/dbraw/zinc/04/40/71/170044071.db2.gz BDTAOXSJTPSFQD-CQSZACIVSA-N 1 1 273.379 4.514 40 5 CJBBMO